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1255098-59-9 | 1H-Indole-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 1255098-59-9 Catalog No: AG000NS0 MDL No:
Product Description
Catalog Number:
AG000NS0
Chemical Name:
1H-Indole-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1255098-59-9
Molecular Formula:
C17H22N2O4
Molecular Weight:
318.3676
IUPAC Name:
methyl 3-(1H-indol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C17H22N2O4/c1-17(2,3)23-16(21)19-14(15(20)22-4)10-11-6-5-7-13-12(11)8-9-18-13/h5-9,14,18H,10H2,1-4H3,(H,19,21)
InChI Key:
RLHGPKYPZQBQSI-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1cccc2c1cc[nH]2)NC(=O)OC(C)(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.373g/mol
Monoisotopic Mass:
318.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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